Bioactive compounds extracted from leaves of G. cyanocarpa using various solvents in chromatographic separation showed anti-cancer and anti-microbial potentiality in in silico approach

The study was carried out to determine the possible bioactive compounds from Ethanol, Methanol, Petroleum ether, and Dichloromethane fractions of Glycosmic cyanocarpa ( G. cyanocarpa). Analysis of these extracts was per-formed using a mass spectrometer detector installed with gas chromatography (GC-MS/MS) utilizing a method named electron impact ionization (EI). The mass spectrum of each extract was compared against the informa-tion incorporated in the library (NIST and Wiley) which provides the chemical structure with the name and molecular masses of the identified compounds. A total of 73 compounds (25 from ethanol, 19 from methanol and 5 from dichloromethane (DCM), and 24 from petroleum ether fractions) were identified from various frac-tions of the plants. Fourier Transform infrared spectroscopy (FTIR) analysis of the crude extracts was done to identify the functional groups of the plant derived compounds. The isolated compounds were subjected to com-parison with the standard drugs towards the active binding sites of epidermal growth factor receptor (EGFR) and dihydrofolate reductase (DHFR) proteins for further evaluation of their cytotoxic and antimicrobial activ-ity, respectively. Stigmasterol, beta-Sitosterol, Pyrazol-5-amine, 3-methyl-1,4-diphenyl-, 1,2-Benzenediol,4-(2-aminopropyl)-18,19-Secoyohimban-19-oic acid, and Phenol, 2,4-bis(1,1-dimethylethyl)-, phosphite (3:1) showed maximum binding affinity towards EGFR and 16,17,20,21-tetradehydro-16-(hydroxymethyl)-, methyl ester, (15 beta.,16E)-, Stigmasterol, beta-Sitosterol, Pyrazol-5-amine, 3-methyl-1,4-diphenyl-revealed highest binding affin-ity towards DHFR receptor. According to the current research, G. cyanocarpa may be a useful natural source for controlling antibacterial and anticancer activity. For thorough phytochemical screening and determining precise mechanisms of action, additional research is required.